SCHEMBL22072048 — predicted protein targets

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	SPAST	Q9UBP0	2/20	0.77

▸	PAK4	O96013	2/20	0.46

▸	PAK1	Q13153	2/20	0.46

▸	IGF1R	P08069	5/20	0.41

▸	HTR2A	P28223	5/20	0.40

▸	AURKA	O14965	2/20	0.39

▸	AURKB	Q96GD4	2/20	0.39

▸	KDM4E	B2RXH2	1/20	0.38

▸	ALDH1A1	P00352	1/20	0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compound	similarity	top predicted	shared targets
SCHEMBL22035048	0.87	SPAST (1.00)	SPASTPAK4PAK1IGF1RHTR2A
SCHEMBL22035049	0.87	SPAST (1.00)	SPASTPAK4PAK1IGF1RHTR2A
SCHEMBL22072044	0.86	SPAST (0.56)	SPASTPAK4PAK1HTR2AAURKA
SCHEMBL22072040	0.79	SPAST (0.59)	SPASTPAK4PAK1HTR2AAURKA
SCHEMBL22072740	0.75	SPAST (0.76)	SPASTPAK4PAK1IGF1RAURKA
SCHEMBL22072741	0.74	SPAST (0.76)	SPASTPAK4PAK1IGF1R
SCHEMBL22072528	0.74	SPAST (0.75)	SPASTPAK4PAK1IGF1R
SCHEMBL22072083	0.73	SPAST (0.61)	SPASTPAK4PAK1IGF1RAURKA
SCHEMBL22072085	0.73	PAK4 (0.66)	PAK4PAK1
SCHEMBL22034758	0.73	SPAST (0.74)	SPASTPAK4PAK1IGF1R

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-2020118183-A1	2,4-DIAMINOPYRIMIDINE BICYCLES FOR TREATING CANCER	KAPOOR TARUN M (US)	2020-06-11	—	—	WO	disclosed